N-[(3S)-1-[[4-(6-butyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl]pyrrolidin-3-yl]ethanamide

Systemtic Name: N-[(3S)-1-[[4-(6-butyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl]pyrrolidin-3-yl]ethanamide Openeye Name: N-[(3S)-1-[[4-(6-butyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl]pyrrolidin-3-yl]acetamide CAS Name: N-[(3S)-1-[[4-(6-butyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl]-3-pyrrolidinyl]acetamide IUPAC Name: N-[(3S)-1-[[4-(6-butyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl]pyrrolidin-3-yl]acetamide Traditional Name: N-[(3S)-1-[4-(6-butyl-4-keto-1H-pyrimidin-2-yl)benzyl]pyrrolidin-3-yl]acetamide Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)CN3CCC(C3)NC(=O)C

Isomeric SMILES

CCCCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)CN3CC[C@@H](C3)NC(=O)C

InChI

InChI=1S/C21H28N4O2/c1-3-4-5-18-12-20(27)24-21(23-18)17-8-6-16(7-9-17)13-25-11-10-19(14-25)22-15(2)26/h6-9,12,19H,3-5,10-11,13-14H2,1-2H3,(H,22,26)(H,23,24,27)/t19-/m0/s1